(E)-4-(1,3-benzothiazol-2-yl)-5-(3,5-dimethoxyphenyl)pent-4-enoic acid

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3,5-dimethoxyphenyl)pent-4-enoic acid Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3,5-dimethoxyphenyl)pent-4-enoic acid CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3,5-dimethoxyphenyl)-4-pentenoic acid IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3,5-dimethoxyphenyl)pent-4-enoic acid Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3,5-dimethoxyphenyl)pent-4-enoic acid Formula: C20H19NO4S MolecularWeight: 369.43416

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C=C(CCC(=O)O)C2=NC3=CC=CC=C3S2)OC

Isomeric SMILES

COC1=CC(=CC(=C1)/C=C(\CCC(=O)O)/C2=NC3=CC=CC=C3S2)OC

InChI

InChI=1S/C20H19NO4S/c1-24-15-10-13(11-16(12-15)25-2)9-14(7-8-19(22)23)20-21-17-5-3-4-6-18(17)26-20/h3-6,9-12H,7-8H2,1-2H3,(H,22,23)/b14-9+